iterations/neb0_image04_iter179_OSZICAR.out output for 44: 750-->752: Si-OH + Si-H , to Si-O-SI + H2 (TSS)
Status:
finished
N E dE d eps ncg rms rms(c)
DAV: 1 0.363431760694E+03 0.36343E+03 -0.14357E+04 640 0.799E+02
DAV: 2 0.901370802652E+00 -0.36253E+03 -0.34964E+03 863 0.193E+02
DAV: 3 -0.959732929701E+02 -0.96875E+02 -0.96577E+02 661 0.115E+02
DAV: 4 -0.100252355746E+03 -0.42791E+01 -0.42688E+01 696 0.280E+01
DAV: 5 -0.100333885168E+03 -0.81529E-01 -0.81496E-01 736 0.351E+00 0.223E+01
DAV: 6 -0.916293015043E+02 0.87046E+01 -0.31015E+01 682 0.297E+01 0.117E+01
DAV: 7 -0.907670150495E+02 0.86229E+00 -0.17829E+00 704 0.632E+00 0.483E+00
DAV: 8 -0.903585936400E+02 0.40842E+00 -0.56623E-01 704 0.435E+00 0.168E+00
DAV: 9 -0.902664952288E+02 0.92098E-01 -0.12222E-01 720 0.207E+00 0.522E-01
DAV: 10 -0.902545664001E+02 0.11929E-01 -0.34062E-02 720 0.940E-01 0.361E-01
DAV: 11 -0.902565960479E+02 -0.20296E-02 -0.14364E-02 688 0.843E-01 0.305E-01
DAV: 12 -0.902575432784E+02 -0.94723E-03 -0.43037E-03 744 0.636E-01 0.124E-01
DAV: 13 -0.902620274970E+02 -0.44842E-02 -0.38909E-03 620 0.340E-01 0.103E-01
DAV: 14 -0.902652270573E+02 -0.31996E-02 -0.67627E-04 640 0.167E-01 0.584E-02
DAV: 15 -0.902689095079E+02 -0.36825E-02 -0.98589E-04 658 0.189E-01 0.363E-02
DAV: 16 -0.902703431804E+02 -0.14337E-02 -0.17147E-04 816 0.105E-01 0.234E-02
DAV: 17 -0.902720274691E+02 -0.16843E-02 -0.38398E-04 652 0.996E-02 0.261E-02
DAV: 18 -0.902722818562E+02 -0.25439E-03 -0.47344E-05 680 0.577E-02 0.144E-02
DAV: 19 -0.902725971382E+02 -0.31528E-03 -0.15041E-04 638 0.721E-02 0.173E-02
DAV: 20 -0.902726535864E+02 -0.56448E-04 -0.12129E-05 504 0.314E-02 0.115E-02
DAV: 21 -0.902727294060E+02 -0.75820E-04 -0.45579E-05 601 0.384E-02 0.516E-03
DAV: 22 -0.902727675881E+02 -0.38182E-04 -0.49157E-06 466 0.128E-02 0.466E-03
DAV: 23 -0.902727802211E+02 -0.12633E-04 -0.17985E-06 474 0.602E-03 0.481E-03
DAV: 24 -0.902727864810E+02 -0.62599E-05 -0.22632E-06 420 0.119E-02
1 F= -.90272786E+02 E0= -.90281234E+02 d E =0.253428E-01